Acta Cryst. (2007). E63, m2886 [ doi:10.1107/S160053680704620X ]
![[mu]](/logos/entities/mu_rmgif.gif)
-1,4-bis[(diphenylphosphanyl)ethynyl]benzene-![[kappa]](/logos/entities/kappa_rmgif.gif)
2P:P'}bis[trans-diiodidopalladium(II)] chloroform trisolvateThe title compound, [Pd2I4(C34H24P2)2]·3CHCl3, was obtained from the direct reaction of PdI2 with 1,4-bis[(diphenylphosphanyl)ethynyl]benzene. The dimer complex molecule is centrosymmetric, with each PdII atom in a slightly distorted square-planar coordination geometry.
PdI2 (11 mg, 0.031 mmol) and 1,4-bis-[(diphenylphosphanyl)-ethynyl]-benzene (15 mg, 0.030 mmol) was added to CDCl3 (0.6 ml). Crystals of the title compound was obtained after 2 days.
All hydrogen atoms were placed in calculated positions with C—H = 0.95 or 1.00 Å and were included in the refinement in the riding-motion approximation with Uiso(H) = 1.2Ueq(C). One of the CHCl3 solvent molecules is disordered over a twofold rotation axis. For each CHCl3 the three C—Cl distances were constrained to be equal with a standard uncertainty of 0.002Å [see: SADI command in SHELXTL (Sheldrick, 2001)]
Data collection: COLLECT (Nonius, 2002); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXTL (Sheldrick, 2001); molecular graphics: SHELXTL (Sheldrick, 2001); software used to prepare material for publication: SHELXTL (Sheldrick, 2001).
![[Figure 1]](./bt2515fig1thm.gif)
| Fig. 1. The molecular structure with displacement ellipsoids drawn at the 30% probability level. Neither the chloroform solvent molecules nor H atoms are shown. Atoms labeled with the suffix 'a' are related by the symmetry operator (−x + 3/2,-y + 1/2,-z + 1). |
| [Pd2I4(C34H24P2)2]·3CHCl3 | F000 = 3976 |
| Mr = 2067.45 | Dx = 1.790 Mg m−3 |
| Monoclinic, C2/c | Mo Kα radiation λ = 0.71073 Å |
| Hall symbol: -C 2yc | Cell parameters from 19576 reflections |
| a = 20.8960 (9) Å | θ = 2.6–25.0º |
| b = 9.5920 (5) Å | µ = 2.52 mm−1 |
| c = 38.832 (2) Å | T = 150 (1) K |
| β = 99.804 (3)º | Needle, colourless |
| V = 7669.6 (7) Å3 | 0.14 × 0.06 × 0.02 mm |
| Z = 4 |
| Nonius KappaCCD diffractometer | 6672 independent reflections |
| Radiation source: fine-focus sealed tube | 3732 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.086 |
| Detector resolution: 9 pixels mm-1 | θmax = 25.0º |
| T = 150(2) K | θmin = 2.6º |
| φ scans and ω scans with κ offsets | h = −24→24 |
| Absorption correction: multi-scan (SORTAV; Blessing, 1995) | k = −11→11 |
| Tmin = 0.827, Tmax = 0.958 | l = −45→46 |
| 19576 measured reflections |
| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| R[F2 > 2σ(F2)] = 0.056 | H-atom parameters constrained |
| wR(F2) = 0.112 | w = 1/[σ2(Fo2) + (0.024P)2 + 42.7375P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.01 | (Δ/σ)max = 0.002 |
| 6672 reflections | Δρmax = 1.06 e Å−3 |
| 411 parameters | Δρmin = −0.91 e Å−3 |
| 4 restraints | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |
| [Pd2I4(C34H24P2)2]·3CHCl3 | V = 7669.6 (7) Å3 |
| Mr = 2067.45 | Z = 4 |
| Monoclinic, C2/c | Mo Kα |
| a = 20.8960 (9) Å | µ = 2.52 mm−1 |
| b = 9.5920 (5) Å | T = 150 (1) K |
| c = 38.832 (2) Å | 0.14 × 0.06 × 0.02 mm |
| β = 99.804 (3)º |
| Nonius KappaCCD diffractometer | 6672 independent reflections |
| Absorption correction: multi-scan (SORTAV; Blessing, 1995) | 3732 reflections with I > 2σ(I) |
| Tmin = 0.827, Tmax = 0.958 | Rint = 0.086 |
| 19576 measured reflections |
| R[F2 > 2σ(F2)] = 0.056 | 4 restraints |
| wR(F2) = 0.112 | H-atom parameters constrained |
| S = 1.01 | w = 1/[σ2(Fo2) + (0.024P)2 + 42.7375P] where P = (Fo2 + 2Fc2)/3 |
| 6672 reflections | Δρmax = 1.06 e Å−3 |
| 411 parameters | Δρmin = −0.91 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
| x | y | z | Uiso*/Ueq | Occ. (<1) | |
| Pd1 | 0.67135 (3) | 0.12571 (7) | 0.633756 (18) | 0.0337 (2) | |
| I1 | 0.72848 (3) | −0.04250 (7) | 0.595490 (18) | 0.0489 (2) | |
| I2 | 0.61881 (3) | 0.24764 (6) | 0.681462 (16) | 0.04193 (19) | |
| P1 | 0.57291 (10) | 0.0364 (2) | 0.60639 (6) | 0.0338 (6) | |
| P2 | 0.77171 (11) | 0.2254 (2) | 0.65447 (6) | 0.0363 (6) | |
| C1 | 0.5693 (4) | 0.0548 (9) | 0.5615 (3) | 0.044 (3) | |
| C2 | 0.5810 (4) | 0.0764 (9) | 0.5327 (2) | 0.040 (2) | |
| C3 | 0.6019 (4) | 0.1060 (10) | 0.5002 (2) | 0.040 (2) | |
| C4 | 0.6216 (5) | 0.2398 (11) | 0.4932 (3) | 0.061 (3) | |
| H4A | 0.6192 | 0.3123 | 0.5096 | 0.073* | |
| C5 | 0.6448 (5) | 0.2686 (11) | 0.4626 (3) | 0.059 (3) | |
| H5A | 0.6577 | 0.3608 | 0.4580 | 0.071* | |
| C6 | 0.6491 (4) | 0.1649 (10) | 0.4388 (2) | 0.043 (2) | |
| C7 | 0.6299 (4) | 0.0311 (9) | 0.4456 (2) | 0.043 (2) | |
| H7A | 0.6329 | −0.0411 | 0.4291 | 0.051* | |
| C8 | 0.6064 (4) | 0.0008 (10) | 0.4760 (2) | 0.043 (2) | |
| H8A | 0.5933 | −0.0915 | 0.4803 | 0.052* | |
| C9 | 0.6710 (4) | 0.1963 (9) | 0.4067 (3) | 0.045 (3) | |
| C10 | 0.6902 (4) | 0.2313 (9) | 0.3808 (2) | 0.039 (2) | |
| C11 | 0.5605 (4) | −0.1473 (9) | 0.6139 (2) | 0.034 (2) | |
| C12 | 0.5926 (4) | −0.2073 (10) | 0.6446 (2) | 0.045 (3) | |
| H12A | 0.6227 | −0.1541 | 0.6604 | 0.054* | |
| C13 | 0.5805 (4) | −0.3451 (10) | 0.6522 (3) | 0.047 (3) | |
| H13A | 0.6024 | −0.3867 | 0.6731 | 0.056* | |
| C14 | 0.5369 (5) | −0.4205 (10) | 0.6294 (3) | 0.053 (3) | |
| H14A | 0.5283 | −0.5145 | 0.6348 | 0.063* | |
| C15 | 0.5047 (5) | −0.3619 (11) | 0.5983 (3) | 0.064 (3) | |
| H15A | 0.4745 | −0.4155 | 0.5826 | 0.077* | |
| C16 | 0.5172 (4) | −0.2262 (9) | 0.5908 (3) | 0.044 (3) | |
| H16A | 0.4960 | −0.1858 | 0.5695 | 0.053* | |
| C21 | 0.4980 (4) | 0.1166 (9) | 0.6141 (2) | 0.034 (2) | |
| C22 | 0.4672 (4) | 0.0657 (10) | 0.6404 (2) | 0.045 (3) | |
| H22A | 0.4846 | −0.0130 | 0.6536 | 0.054* | |
| C23 | 0.4114 (4) | 0.1278 (11) | 0.6476 (3) | 0.051 (3) | |
| H23A | 0.3904 | 0.0911 | 0.6655 | 0.061* | |
| C24 | 0.3862 (5) | 0.2435 (11) | 0.6288 (3) | 0.061 (3) | |
| H24A | 0.3479 | 0.2864 | 0.6339 | 0.073* | |
| C25 | 0.4161 (4) | 0.2965 (9) | 0.6030 (3) | 0.057 (3) | |
| H25A | 0.3988 | 0.3763 | 0.5903 | 0.069* | |
| C26 | 0.4718 (4) | 0.2337 (9) | 0.5956 (2) | 0.045 (2) | |
| H26A | 0.4924 | 0.2708 | 0.5776 | 0.053* | |
| C31 | 0.7750 (4) | 0.3889 (10) | 0.6778 (3) | 0.041 (2) | |
| C32 | 0.8069 (5) | 0.4039 (11) | 0.7117 (3) | 0.055 (3) | |
| H32A | 0.8268 | 0.3249 | 0.7238 | 0.066* | |
| C33 | 0.8103 (5) | 0.5302 (14) | 0.7282 (3) | 0.076 (4) | |
| H33A | 0.8324 | 0.5386 | 0.7517 | 0.092* | |
| C34 | 0.7823 (5) | 0.6428 (14) | 0.7111 (4) | 0.080 (4) | |
| H34A | 0.7843 | 0.7297 | 0.7230 | 0.096* | |
| C35 | 0.7511 (5) | 0.6362 (12) | 0.6771 (4) | 0.068 (4) | |
| H35A | 0.7321 | 0.7168 | 0.6654 | 0.082* | |
| C36 | 0.7483 (4) | 0.5061 (11) | 0.6601 (3) | 0.053 (3) | |
| H36A | 0.7279 | 0.4988 | 0.6364 | 0.063* | |
| C41 | 0.8270 (4) | 0.1125 (9) | 0.6827 (2) | 0.038 (2) | |
| C42 | 0.8062 (5) | 0.0596 (10) | 0.7121 (3) | 0.056 (3) | |
| H42A | 0.7633 | 0.0772 | 0.7160 | 0.067* | |
| C43 | 0.8482 (6) | −0.0186 (11) | 0.7354 (3) | 0.067 (3) | |
| H43A | 0.8343 | −0.0508 | 0.7561 | 0.080* | |
| C44 | 0.9086 (6) | −0.0514 (11) | 0.7300 (3) | 0.071 (3) | |
| H44A | 0.9364 | −0.1086 | 0.7461 | 0.085* | |
| C45 | 0.9286 (5) | 0.0010 (11) | 0.7005 (3) | 0.066 (3) | |
| H45A | 0.9710 | −0.0205 | 0.6963 | 0.080* | |
| C46 | 0.8881 (5) | 0.0846 (10) | 0.6767 (3) | 0.053 (3) | |
| H46A | 0.9029 | 0.1214 | 0.6567 | 0.064* | |
| Cl1 | 0.56608 (16) | 0.6246 (3) | 0.51296 (10) | 0.0983 (11) | |
| Cl2 | 0.7013 (2) | 0.6345 (6) | 0.5168 (2) | 0.255 (4) | |
| Cl3 | 0.6484 (3) | 0.4900 (7) | 0.56931 (13) | 0.206 (3) | |
| C1S | 0.63949 (19) | 0.6309 (12) | 0.5412 (2) | 0.150 (8) | |
| H1SA | 0.6412 | 0.7185 | 0.5553 | 0.180* | |
| Cl5 | 1.03790 (18) | −0.6728 (4) | 0.72255 (9) | 0.1068 (12) | |
| Cl4 | 1.0000 | −0.4169 (5) | 0.7500 | 0.125 (2) | |
| C2S | 0.9795 (9) | −0.5888 (12) | 0.7413 (6) | 0.110 (13) | 0.50 |
| H2SA | 0.9404 | −0.5888 | 0.7242 | 0.132* | 0.50 |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Pd1 | 0.0336 (4) | 0.0372 (4) | 0.0304 (4) | −0.0009 (3) | 0.0059 (3) | −0.0015 (4) |
| I1 | 0.0401 (4) | 0.0537 (4) | 0.0545 (5) | 0.0011 (3) | 0.0122 (3) | −0.0148 (4) |
| I2 | 0.0428 (4) | 0.0494 (4) | 0.0349 (4) | −0.0031 (3) | 0.0102 (3) | −0.0075 (3) |
| P1 | 0.0339 (13) | 0.0402 (15) | 0.0282 (15) | −0.0027 (11) | 0.0075 (11) | −0.0005 (12) |
| P2 | 0.0398 (14) | 0.0423 (16) | 0.0275 (14) | −0.0021 (12) | 0.0076 (12) | 0.0013 (12) |
| C1 | 0.045 (6) | 0.042 (6) | 0.048 (7) | −0.003 (5) | 0.015 (5) | −0.009 (5) |
| C2 | 0.043 (6) | 0.041 (6) | 0.037 (6) | −0.012 (5) | 0.009 (5) | 0.003 (5) |
| C3 | 0.051 (6) | 0.044 (6) | 0.027 (6) | −0.006 (5) | 0.012 (5) | 0.001 (5) |
| C4 | 0.101 (9) | 0.050 (7) | 0.036 (7) | −0.014 (6) | 0.024 (6) | −0.004 (5) |
| C5 | 0.081 (8) | 0.058 (7) | 0.044 (7) | −0.025 (6) | 0.023 (6) | −0.002 (6) |
| C6 | 0.050 (6) | 0.044 (6) | 0.036 (6) | −0.009 (5) | 0.009 (5) | −0.001 (5) |
| C7 | 0.051 (6) | 0.044 (6) | 0.033 (6) | −0.014 (5) | 0.009 (5) | −0.001 (5) |
| C8 | 0.047 (6) | 0.045 (6) | 0.038 (6) | −0.008 (5) | 0.010 (5) | 0.007 (5) |
| C9 | 0.039 (6) | 0.051 (6) | 0.045 (7) | −0.012 (5) | 0.009 (5) | 0.006 (5) |
| C10 | 0.037 (5) | 0.040 (6) | 0.042 (6) | −0.016 (5) | 0.010 (5) | −0.001 (5) |
| C11 | 0.032 (5) | 0.041 (6) | 0.033 (6) | −0.002 (5) | 0.012 (5) | −0.003 (5) |
| C12 | 0.054 (6) | 0.048 (7) | 0.036 (7) | −0.011 (5) | 0.012 (5) | 0.000 (5) |
| C13 | 0.038 (6) | 0.047 (7) | 0.052 (7) | 0.000 (5) | 0.002 (5) | 0.004 (6) |
| C14 | 0.062 (7) | 0.033 (6) | 0.065 (8) | −0.005 (5) | 0.018 (6) | 0.012 (6) |
| C15 | 0.068 (7) | 0.043 (7) | 0.079 (10) | −0.021 (6) | 0.007 (7) | −0.009 (7) |
| C16 | 0.043 (6) | 0.033 (6) | 0.054 (7) | −0.009 (5) | 0.000 (5) | 0.001 (5) |
| C21 | 0.034 (5) | 0.034 (6) | 0.035 (6) | 0.000 (4) | 0.006 (5) | 0.001 (5) |
| C22 | 0.045 (6) | 0.055 (6) | 0.040 (6) | −0.002 (5) | 0.023 (5) | −0.004 (5) |
| C23 | 0.050 (6) | 0.060 (7) | 0.043 (7) | −0.003 (6) | 0.009 (5) | −0.005 (6) |
| C24 | 0.038 (6) | 0.056 (7) | 0.089 (9) | −0.005 (6) | 0.012 (6) | −0.018 (7) |
| C25 | 0.035 (6) | 0.034 (6) | 0.102 (10) | 0.006 (5) | 0.006 (6) | 0.006 (6) |
| C26 | 0.044 (6) | 0.039 (6) | 0.051 (7) | −0.009 (5) | 0.010 (5) | −0.001 (5) |
| C31 | 0.040 (6) | 0.054 (7) | 0.029 (6) | −0.014 (5) | 0.003 (5) | 0.001 (5) |
| C32 | 0.059 (7) | 0.048 (7) | 0.061 (8) | 0.000 (5) | 0.017 (6) | −0.014 (6) |
| C33 | 0.067 (8) | 0.091 (10) | 0.071 (10) | 0.005 (8) | 0.012 (7) | −0.029 (9) |
| C34 | 0.047 (8) | 0.072 (10) | 0.126 (14) | −0.017 (7) | 0.026 (8) | −0.049 (10) |
| C35 | 0.047 (7) | 0.052 (8) | 0.111 (12) | −0.007 (6) | 0.025 (8) | 0.002 (8) |
| C36 | 0.046 (6) | 0.053 (7) | 0.059 (8) | −0.011 (6) | 0.006 (6) | 0.001 (6) |
| C41 | 0.036 (5) | 0.039 (6) | 0.037 (6) | −0.001 (5) | −0.001 (5) | 0.001 (5) |
| C42 | 0.052 (6) | 0.064 (7) | 0.049 (7) | −0.005 (6) | 0.004 (6) | 0.024 (6) |
| C43 | 0.071 (8) | 0.064 (8) | 0.056 (8) | −0.009 (7) | −0.017 (7) | 0.032 (6) |
| C44 | 0.064 (8) | 0.058 (8) | 0.080 (10) | 0.004 (7) | −0.021 (7) | 0.023 (7) |
| C45 | 0.050 (7) | 0.074 (9) | 0.073 (9) | 0.026 (6) | 0.005 (7) | 0.000 (7) |
| C46 | 0.049 (6) | 0.062 (7) | 0.048 (7) | 0.008 (6) | 0.005 (6) | −0.002 (6) |
| Cl1 | 0.106 (3) | 0.084 (2) | 0.103 (3) | −0.009 (2) | 0.012 (2) | −0.011 (2) |
| Cl2 | 0.114 (4) | 0.210 (6) | 0.467 (11) | −0.044 (4) | 0.127 (5) | −0.152 (7) |
| Cl3 | 0.205 (5) | 0.282 (7) | 0.101 (4) | 0.136 (5) | −0.064 (4) | −0.085 (4) |
| C1S | 0.059 (9) | 0.165 (16) | 0.21 (2) | −0.002 (10) | −0.009 (11) | −0.137 (15) |
| Cl5 | 0.127 (3) | 0.115 (3) | 0.084 (3) | 0.009 (2) | 0.033 (2) | −0.017 (2) |
| Cl4 | 0.150 (5) | 0.084 (4) | 0.159 (6) | 0.000 | 0.081 (4) | 0.000 |
| C2S | 0.042 (18) | 0.12 (2) | 0.18 (4) | 0.011 (13) | 0.05 (2) | 0.10 (2) |
| Pd1—P1 | 2.313 (2) | C23—C24 | 1.383 (13) |
| Pd1—P2 | 2.321 (2) | C23—H23A | 0.9500 |
| Pd1—I2 | 2.5880 (9) | C24—C25 | 1.365 (13) |
| Pd1—I1 | 2.6155 (9) | C24—H24A | 0.9500 |
| P1—C1 | 1.743 (10) | C25—C26 | 1.384 (11) |
| P1—C11 | 1.812 (9) | C25—H25A | 0.9500 |
| P1—C21 | 1.813 (8) | C26—H26A | 0.9500 |
| P2—C10i | 1.749 (9) | C31—C32 | 1.379 (12) |
| P2—C31 | 1.806 (10) | C31—C36 | 1.384 (12) |
| P2—C41 | 1.809 (9) | C32—C33 | 1.367 (13) |
| C1—C2 | 1.202 (11) | C32—H32A | 0.9500 |
| C2—C3 | 1.434 (12) | C33—C34 | 1.349 (16) |
| C3—C4 | 1.388 (12) | C33—H33A | 0.9500 |
| C3—C8 | 1.393 (11) | C34—C35 | 1.370 (15) |
| C4—C5 | 1.388 (12) | C34—H34A | 0.9500 |
| C4—H4A | 0.9500 | C35—C36 | 1.408 (13) |
| C5—C6 | 1.371 (12) | C35—H35A | 0.9500 |
| C5—H5A | 0.9500 | C36—H36A | 0.9500 |
| C6—C7 | 1.384 (11) | C41—C46 | 1.364 (11) |
| C6—C9 | 1.430 (12) | C41—C42 | 1.386 (12) |
| C7—C8 | 1.384 (11) | C42—C43 | 1.373 (12) |
| C7—H7A | 0.9500 | C42—H42A | 0.9500 |
| C8—H8A | 0.9500 | C43—C44 | 1.351 (13) |
| C9—C10 | 1.191 (11) | C43—H43A | 0.9500 |
| C10—P2i | 1.749 (9) | C44—C45 | 1.381 (14) |
| C11—C16 | 1.386 (11) | C44—H44A | 0.9500 |
| C11—C12 | 1.390 (11) | C45—C46 | 1.396 (13) |
| C12—C13 | 1.386 (12) | C45—H45A | 0.9500 |
| C12—H12A | 0.9500 | C46—H46A | 0.9500 |
| C13—C14 | 1.363 (12) | Cl1—C1S | 1.728 (5) |
| C13—H13A | 0.9500 | Cl2—C1S | 1.728 (5) |
| C14—C15 | 1.396 (13) | Cl3—C1S | 1.728 (5) |
| C14—H14A | 0.9500 | C1S—H1SA | 1.0000 |
| C15—C16 | 1.370 (12) | Cl5—C2Sii | 1.71 (2) |
| C15—H15A | 0.9500 | Cl5—C2S | 1.723 (11) |
| C16—H16A | 0.9500 | Cl4—C2S | 1.723 (11) |
| C21—C22 | 1.384 (11) | Cl4—C2Sii | 1.723 (11) |
| C21—C26 | 1.395 (11) | C2S—C2Sii | 1.00 (4) |
| C22—C23 | 1.379 (11) | C2S—Cl5ii | 1.71 (2) |
| C22—H22A | 0.9500 | C2S—H2SA | 0.9600 |
| P1—Pd1—P2 | 172.93 (9) | C22—C23—H23A | 120.1 |
| P1—Pd1—I2 | 92.51 (6) | C24—C23—H23A | 120.1 |
| P2—Pd1—I2 | 91.96 (6) | C25—C24—C23 | 120.3 (9) |
| P1—Pd1—I1 | 88.09 (6) | C25—C24—H24A | 119.8 |
| P2—Pd1—I1 | 88.75 (6) | C23—C24—H24A | 119.8 |
| I2—Pd1—I1 | 167.36 (4) | C24—C25—C26 | 119.9 (10) |
| C1—P1—C11 | 106.1 (4) | C24—C25—H25A | 120.1 |
| C1—P1—C21 | 103.4 (4) | C26—C25—H25A | 120.1 |
| C11—P1—C21 | 103.6 (4) | C25—C26—C21 | 120.8 (9) |
| C1—P1—Pd1 | 107.8 (3) | C25—C26—H26A | 119.6 |
| C11—P1—Pd1 | 115.3 (3) | C21—C26—H26A | 119.6 |
| C21—P1—Pd1 | 119.5 (3) | C32—C31—C36 | 118.5 (10) |
| C10i—P2—C31 | 101.7 (4) | C32—C31—P2 | 122.7 (8) |
| C10i—P2—C41 | 106.7 (4) | C36—C31—P2 | 118.6 (8) |
| C31—P2—C41 | 104.5 (4) | C33—C32—C31 | 121.3 (11) |
| C10i—P2—Pd1 | 109.3 (3) | C33—C32—H32A | 119.4 |
| C31—P2—Pd1 | 119.1 (3) | C31—C32—H32A | 119.4 |
| C41—P2—Pd1 | 114.2 (3) | C34—C33—C32 | 119.6 (12) |
| C2—C1—P1 | 165.4 (9) | C34—C33—H33A | 120.2 |
| C1—C2—C3 | 173.7 (10) | C32—C33—H33A | 120.2 |
| C4—C3—C8 | 118.9 (8) | C33—C34—C35 | 122.2 (13) |
| C4—C3—C2 | 120.0 (8) | C33—C34—H34A | 118.9 |
| C8—C3—C2 | 121.1 (8) | C35—C34—H34A | 118.9 |
| C3—C4—C5 | 120.6 (9) | C34—C35—C36 | 117.9 (12) |
| C3—C4—H4A | 119.7 | C34—C35—H35A | 121.0 |
| C5—C4—H4A | 119.7 | C36—C35—H35A | 121.0 |
| C6—C5—C4 | 120.4 (9) | C31—C36—C35 | 120.4 (10) |
| C6—C5—H5A | 119.8 | C31—C36—H36A | 119.8 |
| C4—C5—H5A | 119.8 | C35—C36—H36A | 119.8 |
| C5—C6—C7 | 119.3 (9) | C46—C41—C42 | 120.2 (9) |
| C5—C6—C9 | 120.1 (9) | C46—C41—P2 | 122.3 (7) |
| C7—C6—C9 | 120.5 (9) | C42—C41—P2 | 117.4 (7) |
| C6—C7—C8 | 120.9 (9) | C43—C42—C41 | 119.3 (10) |
| C6—C7—H7A | 119.5 | C43—C42—H42A | 120.3 |
| C8—C7—H7A | 119.5 | C41—C42—H42A | 120.3 |
| C7—C8—C3 | 119.8 (8) | C44—C43—C42 | 122.2 (11) |
| C7—C8—H8A | 120.1 | C44—C43—H43A | 118.9 |
| C3—C8—H8A | 120.1 | C42—C43—H43A | 118.9 |
| C10—C9—C6 | 175.6 (10) | C43—C44—C45 | 117.9 (10) |
| C9—C10—P2i | 172.5 (9) | C43—C44—H44A | 121.0 |
| C16—C11—C12 | 119.8 (8) | C45—C44—H44A | 121.0 |
| C16—C11—P1 | 121.5 (7) | C44—C45—C46 | 121.6 (10) |
| C12—C11—P1 | 118.7 (7) | C44—C45—H45A | 119.2 |
| C13—C12—C11 | 119.9 (9) | C46—C45—H45A | 119.2 |
| C13—C12—H12A | 120.1 | C41—C46—C45 | 118.7 (10) |
| C11—C12—H12A | 120.1 | C41—C46—H46A | 120.6 |
| C14—C13—C12 | 119.6 (10) | C45—C46—H46A | 120.6 |
| C14—C13—H13A | 120.2 | Cl2—C1S—Cl1 | 108.6 (5) |
| C12—C13—H13A | 120.2 | Cl2—C1S—Cl3 | 110.6 (6) |
| C13—C14—C15 | 121.1 (9) | Cl1—C1S—Cl3 | 111.2 (5) |
| C13—C14—H14A | 119.4 | Cl2—C1S—H1SA | 108.8 |
| C15—C14—H14A | 119.4 | Cl1—C1S—H1SA | 108.8 |
| C16—C15—C14 | 119.1 (10) | Cl3—C1S—H1SA | 108.8 |
| C16—C15—H15A | 120.5 | C2Sii—Cl5—C2S | 33.7 (14) |
| C14—C15—H15A | 120.5 | C2S—Cl4—C2Sii | 33.6 (15) |
| C15—C16—C11 | 120.5 (10) | C2Sii—C2S—Cl5ii | 74 (2) |
| C15—C16—H16A | 119.8 | C2Sii—C2S—Cl4 | 73.2 (7) |
| C11—C16—H16A | 119.8 | Cl5ii—C2S—Cl4 | 111.7 (10) |
| C22—C21—C26 | 118.2 (8) | C2Sii—C2S—Cl5 | 72.5 (17) |
| C22—C21—P1 | 119.7 (7) | Cl5ii—C2S—Cl5 | 113.0 (10) |
| C26—C21—P1 | 122.0 (7) | Cl4—C2S—Cl5 | 111.2 (10) |
| C23—C22—C21 | 121.0 (9) | C2Sii—C2S—H2SA | 179.2 |
| C23—C22—H22A | 119.5 | Cl5ii—C2S—H2SA | 106.9 |
| C21—C22—H22A | 119.5 | Cl4—C2S—H2SA | 106.8 |
| C22—C23—C24 | 119.8 (9) | Cl5—C2S—H2SA | 106.8 |
| Symmetry codes: (i) −x+3/2, −y+1/2, −z+1; (ii) −x+2, y, −z+3/2. |
The authors acknowledge NSERC Canada and the University of Toronto for funding.
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The bidentate phosphane ligand used in this work has been previously found to form a triangle when reacted with PtCl2 (Baumgartner et al., 2002). In this work, we report the formation of a rectangle using PdI2 as the metal source. The Pd centres in the title compound exhibit a slightly distorted square planar geometry, where the P—Pd—I angles deviate from 90° by less than 3°.